3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C26H22ClN3O2 — CID 17198631

IUPAC3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)CC(/C=C/c1ccccc1)C3
InChIInChI=1S/C26H22ClN3O2/c1-32-16-22-25(19-8-5-9-20(27)14-19)26-28-15-21-23(30(26)29-22)12-18(13-24(21)31)11-10-17-6-3-2-4-7-17/h2-11,14-15,18H,12-13,16H2,1H3/b11-10+
InChIKeyVZOCBXOCWPEFEW-ZHACJKMWSA-N
MW443.93 g/mol
LogP5.65
Rot. Bonds5

About 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 17198631) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID17198631
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)CC(/C=C/c1ccccc1)C3
InChIInChI=1S/C26H22ClN3O2/c1-32-16-22-25(19-8-5-9-20(27)14-19)26-28-15-21-23(30(26)29-22)12-18(13-24(21)31)11-10-17-6-3-2-4-7-17/h2-11,14-15,18H,12-13,16H2,1H3/b11-10+
InChIKeyVZOCBXOCWPEFEW-ZHACJKMWSA-N
XLogP5.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3,8-diphenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 3974222
3-(4-methoxyphenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16457439
3-(4-chlorophenyl)-8-(2-furyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 666934
Ethyl 2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 7343169
3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 4901770
3-(4-chlorophenyl)-2-methyl-8-[4-(propan-2-yl)phenyl]-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16457437
3-(4-Chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
CID 822169
8-(4-isopropylphenyl)-2-methyl-3-phenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 4860207
3-(4-methoxyphenyl)-2-methyl-8-phenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16417267
3-(4-chlorophenyl)-8-(4-fluorophenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16448708
8-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16448711
3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 17190742

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 17198631) is 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)CC(/C=C/c1ccccc1)C3.
What is the InChIKey of 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is VZOCBXOCWPEFEW-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c1-32-16-22-25(19-8-5-9-20(27)14-19)26-28-15-21-23(30(26)29-22)12-18(13-24(21)31)11-10-17-6-3-2-4-7-17/h2-11,14-15,18H,12-13,16H2,1H3/b11-10+.
What are the key properties of 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 443.93 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(methoxymethyl)-8-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 17198631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).